2-(1-ethylpyrrolidin-1-ium-1-yl)ethanol; 3,4,5-trimethoxybenzoate; iodide

Systemtic Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethanol; 3,4,5-trimethoxybenzoate; iodide Openeye Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethanol; 3,4,5-trimethoxybenzoate; iodide CAS Name: 2-(1-ethyl-1-pyrrolidin-1-iumyl)ethanol; 3,4,5-trimethoxybenzoate; iodide IUPAC Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethanol; 3,4,5-trimethoxybenzoate; iodide Traditional Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethanol; 3,4,5-trimethoxybenzoate; iodide Formula: C18H29INO6- MolecularWeight: 482.33043

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1)CCO.COC1=CC(=CC(=C1OC)OC)C(=O)[O-].[I-]

Isomeric SMILES

CC[N+]1(CCCC1)CCO.COC1=CC(=CC(=C1OC)OC)C(=O)[O-].[I-]

InChI

InChI=1S/C10H12O5.C8H18NO.HI/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;1-2-9(7-8-10)5-3-4-6-9;/h4-5H,1-3H3,(H,11,12);10H,2-8H2,1H3;1H/q;+1;/p-2